Geometry & MOs

Info

ID:	59685
PubChem CID:	24893597
Reduced:	N4C17H23 (1)
Stoich.:	A4B17C23 (1)
Weight, g/mol:	635.335922
ΔH_f, kcal/mol:	67.11
Dipole, Da:	3.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953106
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[[(2S)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2R)-2-benzylpent-4-enoate

Drug info:

PubChemData

Smile

C/[NH+]=C(\C1=CC=CC=C1)/NC2=CC=NN2C3CCCCC3

DOS

IR

Vibrations